Glycoside
GD012975
Name:
CHIMARRHININFormula:
C29H28O12Smiles:
O=C(O[C@@H]1[C@H](O)CO[C@H]1[C@]1(c2ccc(O)c(O)c2)CC[C@H](Cc2ccc(O)c(O)c2)C(=O)O1)c1cc(O)cc(O)c1Aglycone:
O=C(O)c1cc(O)cc(O)c1.O=C1OC(c2ccc(O)c(O)c2)CCC1Cc1ccc(O)c(O)c1Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.31 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 568.53 | Num_heavy_atoms: | 41 |
| TPSA: | 203.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD09739
Formula: C7H6O4
Smiles:
O=C(O)c1cc(O)cc(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.12 | Num_heavy_atoms: | 11 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD09740
Formula: C18H18O6
Smiles:
O=C1OC(c2ccc(O)c(O)c2)CCC1Cc1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.34 | Num_heavy_atoms: | 24 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
